Scalable electronic structure theory: the embedded electron-pair approximation

Manby, Frederick R (Principal Investigator)

School of Chemistry

Status	Finished
Effective start/end date	1/05/13 → 1/05/16

Research Groups and Themes

BcompB
Bristol BioDesign Institute
Physical & Theoretical

Multiscale analysis of enantioselectivity in enzyme-catalysed ‘lethal synthesis’ using projector-based embedding
Zhang, X., Bennie, S., Van der Kamp, M., Glowacki, D., Manby, F. & Mulholland, A., 14 Feb 2018, (E-pub ahead of print) In: Royal Society Open Science. 5, 9 p., 171390.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
26 Citations (Scopus)

332 Downloads (Pure)
Correcting density-driven errors in projection-based embedding
Pennifold, R. C. R., Bennie, S. J., Miller, T. F. & Manby, F. R., 28 Feb 2017, In: Journal of Chemical Physics. 146, 8, 7 p., 084113.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
17 Citations (Scopus)

335 Downloads (Pure)
Density-Based Errors in Mixed-Basis Mean-Field Electronic Structure, with Implications for Embedding and QM/MM Methods
Lee, S. J. R., Miyamoto, K., Ding, F., Manby, F. R. & Miller III, T. F., 1 Sept 2017, In: Chemical Physics Letters. 213, 1-3, p. 153-158 8 p.
Research output: Contribution to journal › Article (Academic Journal) › peer-review

Open Access
File
5 Citations (Scopus)

329 Downloads (Pure)

Optical implementation of spin squeezing
Sabines-Chesterking, J. (Creator), Matthews, J. C. F. (Creator), Matthews, J. (Creator), Cable, H. (Creator), O’Brien, J. L. (Creator) & Ono, T. (Creator), University of Bristol, 28 Apr 2017
DOI: 10.5523/bris.1u56e9gm6h2ao2iqlv9mkd7zd7, http://data.bris.ac.uk/data/dataset/1u56e9gm6h2ao2iqlv9mkd7zd7
Dataset
Absorption spectroscopy at the ultimate quantum limit from single-photon states
Whittaker, R. (Creator), Matthews, J. (Creator), Cable, H. (Contributor), Erven, C. (Contributor), Berry, M. (Contributor), Neville, A. (Contributor) & O'Brien, J. (Contributor), University of Bristol, 6 Jan 2017
DOI: 10.5523/bris.1g55e0oh0sl6v1tzztdrbeullo, http://data.bris.ac.uk/data/dataset/1g55e0oh0sl6v1tzztdrbeullo
Dataset